N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide

C24H30ClN3O — CID 18733339

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3
InChIKeyKTBOEOHPXHDOGA-UHFFFAOYSA-N
MW411.98 g/mol
LogP6.32
Rot. Bonds10

About N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide (PubChem CID 18733339) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
PubChem CID18733339
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3
InChIKeyKTBOEOHPXHDOGA-UHFFFAOYSA-N
XLogP6.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide (CID 18733339) is N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide is CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1Cl.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide?
The InChIKey is KTBOEOHPXHDOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-3-5-11-16-27(24(29)19-12-7-8-13-20(19)25)18-23-26-21-14-9-10-15-22(21)28(23)17-6-4-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide has a molecular weight of 411.98 g/mol, XLogP of 6.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide is sourced from PubChem (CID 18733339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).